1-(6-chlorohexyl)-5-fluoroindole-2,3-dione

C14H15ClFNO2 — CID 62227048

IUPAC1-(6-chlorohexyl)-5-fluoroindole-2,3-dione
SMILESO=C1C(=O)N(CCCCCCCl)c2ccc(F)cc21
InChIInChI=1S/C14H15ClFNO2/c15-7-3-1-2-4-8-17-12-6-5-10(16)9-11(12)13(18)14(17)19/h5-6,9H,1-4,7-8H2
InChIKeyRRIIHENHGXSTDM-UHFFFAOYSA-N
MW283.73 g/mol
LogP3.15
Rot. Bonds6

About 1-(6-chlorohexyl)-5-fluoroindole-2,3-dione

1-(6-chlorohexyl)-5-fluoroindole-2,3-dione (PubChem CID 62227048) has the molecular formula C14H15ClFNO2 and a molecular weight of 283.73 g/mol. Its IUPAC name is 1-(6-chlorohexyl)-5-fluoroindole-2,3-dione.

Molecular Properties

Compound Name1-(6-chlorohexyl)-5-fluoroindole-2,3-dione
PubChem CID62227048
Molecular FormulaC14H15ClFNO2
Molecular Weight283.73 g/mol
Exact Mass283.08
IUPAC Name1-(6-chlorohexyl)-5-fluoroindole-2,3-dione
SMILESO=C1C(=O)N(CCCCCCCl)c2ccc(F)cc21
InChIInChI=1S/C14H15ClFNO2/c15-7-3-1-2-4-8-17-12-6-5-10(16)9-11(12)13(18)14(17)19/h5-6,9H,1-4,7-8H2
InChIKeyRRIIHENHGXSTDM-UHFFFAOYSA-N
XLogP3.15
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.73
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(6-chlorohexyl)-5-fluoroindole-2,3-dione?
The IUPAC name of 1-(6-chlorohexyl)-5-fluoroindole-2,3-dione (CID 62227048) is 1-(6-chlorohexyl)-5-fluoroindole-2,3-dione.
What is the SMILES notation for 1-(6-chlorohexyl)-5-fluoroindole-2,3-dione?
The canonical SMILES for 1-(6-chlorohexyl)-5-fluoroindole-2,3-dione is O=C1C(=O)N(CCCCCCCl)c2ccc(F)cc21.
What is the InChIKey of 1-(6-chlorohexyl)-5-fluoroindole-2,3-dione?
The InChIKey is RRIIHENHGXSTDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClFNO2/c15-7-3-1-2-4-8-17-12-6-5-10(16)9-11(12)13(18)14(17)19/h5-6,9H,1-4,7-8H2.
What are the key properties of 1-(6-chlorohexyl)-5-fluoroindole-2,3-dione?
1-(6-chlorohexyl)-5-fluoroindole-2,3-dione has a molecular weight of 283.73 g/mol, XLogP of 3.15, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-chlorohexyl)-5-fluoroindole-2,3-dione is sourced from PubChem (CID 62227048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).